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Home > Other Heterocycles > 89027-57-6
89027-57-6 | Phenol, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)-
CAS No: 89027-57-6 Catalog No: AG0042R0 MDL No:
Product Description
Catalog Number:
AG0042R0
Chemical Name:
Phenol, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)-
CAS Number:
89027-57-6
Molecular Formula:
C20H30O
Molecular Weight:
286.4516
IUPAC Name:
4-(4-hexyl-1-bicyclo[2.2.2]octanyl)phenol
InChI:
InChI=1S/C20H30O/c1-2-3-4-5-10-19-11-14-20(15-12-19,16-13-19)17-6-8-18(21)9-7-17/h6-9,21H,2-5,10-16H2,1H3
InChI Key:
MJUKLKNKBOFXTI-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(CC1)(CC2)c1ccc(cc1)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.23g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.459g/mol
Monoisotopic Mass:
286.23g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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